2-(4-chloro-1H-indol-3-yl)acetonitrile
TL;DR: 2-(4-chloro-1H-indol-3-yl)acetonitrile (CAS 2447-15-6) is a chemical compound with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-1H-indol-3-yl)acetonitrile
Also Known As: 2-(4-chloro-1H-indol-3-yl)acetonitrile, 1H-Indole-3-acetonitrile, 4-chloro-, 4-CHLOROINDOLE-3-ACETONITRILE, (4-Chloro-1H-indol-3-yl)acetonitrile, 4-chloro-1H-Indole-3-acetonitrile
| Molecular Formula | C10H7ClN2 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 2.88738 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02977 |
| Heavy Atoms | 13 |
| Complexity | 479.12067 |
Chemical Identifiers
| CAS Number | 2447-15-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)C(=CN2)CC#N |
Product Overview
2-(4-chloro-1H-indol-3-yl)acetonitrile (CAS 2447-15-6), with molecular formula C10H7ClN2 and molecular weight 190.03 g/mol. IUPAC: 2-(4-chloro-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-(4-chloro-1H-indol-3-yl)acetonitrile
Property Insights of 2-(4-chloro-1H-indol-3-yl)acetonitrile
The XLogP value of 2.88738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-1H-indol-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 2-(4-chloro-1H-indol-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chloro-1H-indol-3-yl)acetonitrile has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-chloro-1H-indol-3-yl)acetonitrile?
The CAS number of 2-(4-chloro-1H-indol-3-yl)acetonitrile is 2447-15-6.
What is the molecular formula of 2-(4-chloro-1H-indol-3-yl)acetonitrile?
The molecular formula of 2-(4-chloro-1H-indol-3-yl)acetonitrile is C10H7ClN2.
What is the molecular weight of 2-(4-chloro-1H-indol-3-yl)acetonitrile?
The molecular weight of 2-(4-chloro-1H-indol-3-yl)acetonitrile is 190.03 g/mol.
Where can I buy 2-(4-chloro-1H-indol-3-yl)acetonitrile?
You can request a quote for 2-(4-chloro-1H-indol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-1H-indol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-1H-indol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.